SCHEMBL20371007

SCHEMBL20371007

CC(C)S(=O)(=O)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
P4HTM Q9NXG6 2/20 0.54
HDAC8 Q9BY41 6/20 0.50
HDAC3 O15379 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC11 Q96DB2 3/20 0.50
GRIA4 P48058 3/20 0.50
NR1H4 Q96RI1 3/20 0.50
EPHX2 P34913 1/20 0.50
POLB P06746 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21104351 0.85 P4HTM (0.52) P4HTMHDAC8
SCHEMBL18455389 0.82 HDAC1 (0.57) HDAC1P4HTMHDAC6POLBCA1
SCHEMBL7278928 0.82 P4HTM (0.65) HDAC1P4HTMHDAC8HDAC6GRIA4
SCHEMBL7376125 0.81 P4HTM (0.49) HDAC1P4HTMGRIA4NR1H4EPHX2
SCHEMBL15831223 0.80 P4HTM (0.58) HDAC1P4HTMHDAC8HDAC3HDAC6
SCHEMBL7990830 0.80 HDAC1 (0.66) HDAC1P4HTMHDAC8HDAC3HDAC6
SCHEMBL10116467 0.79 MEN1 (0.62) HDAC8HDAC3HDAC6HDAC11NR1H4
SCHEMBL21104540 0.78 CA2 (0.62) P4HTMCA1CA2KMT2A
SCHEMBL21104541 0.78 FLT1 (0.56) HDAC1P4HTMHDAC8HDAC3HDAC6
SCHEMBL20370955 0.77 P4HTM (0.46) P4HTMNR1H4EPHX2CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194799-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-07-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180194799-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS BET1, PGGT1B, RABGGTB HDAC1 32/4885P4HTM 4597/4885HDAC8 111/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.